Skip to main content

Theophylline 7-propyl sulfide (TAPS) chloride

ADVERTISEMENT
Identification
Molecular formula
C13H20N5O2SCl
CAS number
852793-19-2
IUPAC name
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium;chloride
State
State
The compound is typically in a solid state at room temperature due to its high molecular weight and crystalline structure.
Melting point (Celsius)
183.00
Melting point (Kelvin)
456.15
Boiling point (Celsius)
355.15
Boiling point (Kelvin)
628.30
General information
Molecular weight
344.86g/mol
Molar mass
344.8600g/mol
Density
1.3200g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. This description is consistent with many similar organic salts, which generally exhibit a similar physical form.

Comment on solubility

Solubility of Dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium Chloride

The solubility of dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium chloride exhibits some fascinating characteristics due to its complex structure. This compound, being a quaternary ammonium salt, generally shows good solubility in various solvents. Here are a few key points to consider:

  • Water Solubility: Being a chloride salt, it tends to be highly soluble in water, making it suitable for aqueous applications.
  • Polar Solvents: It dissolves well in polar solvents like methanol and ethanol due to its ionic nature.
  • Non-Polar Solvents: Its solubility diminishes significantly in non-polar solvents, which is a common trend for ionic compounds.

As a general rule, compounds that are ionic or polar will often have enhanced solubility in polar solvents, while those that are non-polar will not dissolve well. This behavior can be attributed to the like dissolves like principle. Additionally, the presence of the bulky trimethyl groups in the purine moiety may influence the overall solubility behavior, introducing intricate interactions in solution.

In conclusion, understanding the solubility of this compound is crucial for its potential applications in various fields, including pharmaceuticals and biochemistry. Given its structure, expect to find it primarily in aqueous solutions and solutions of polar organic solvents.

Interesting facts

Exploring Dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium Chloride

This compound belongs to a fascinating class of chemicals known as quaternary ammonium compounds (QACs). These compounds are notable for their variety of applications across multiple fields, including medicinal chemistry, biochemistry, and materials science.

Key Features of the Compound:

  • Biological Importance: As a derivative of purine, this compound may have potential impacts on nucleic acid metabolism and could be a subject of interest in cancer research, exploring cell division, and the design of new drugs.
  • Antibacterial Properties: Many QACs are known for their antimicrobial activities, making this compound a candidate for formulations aimed at disinfection and infection control.
  • Structural Complexity: The presence of multiple functional groups, such as the dioxo and methyl substituents, hints at a rich chemistry that could lead to unique reactivity and interaction patterns.

Furthermore, the unique combination of sulfur and ammonium creates opportunities for synthesizing new derivatives that could exhibit varied biological activity. Researchers often harness these compounds to investigate their potential as therapeutic agents, striving to uncover novel uses and applications.

In summary, Dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium chloride is not just an ordinary quaternary ammonium compound; it is a gateway into understanding complex biochemical interactions and developing innovative solutions in health and materials science.

Synonyms
8-((3-(Dimethylamino)propyl)thio)caffeine hydrochloride
CAFFEINE, 8-((3-(DIMETHYLAMINO)PROPYL)THIO)-, HYDROCHLORIDE
24851-39-6
RefChem:331565